L258-0227 Screening compound: ethyl 2-{4-[({2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl}carbamoyl)amino]phenyl}acetate

L258-0227 Screening compound: ethyl 2-{4-[({2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl}carbamoyl)amino]phenyl}acetate
L258-0227 Screening compound: ethyl 2-{4-[({2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl}carbamoyl)amino]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L258-0227
ethyl 2-{4-[({2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl}carbamoyl)amino]phenyl}acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L258-0227

Molecular Formula

C24H31N3O5S (C24 H31 N3 O5 S)

Compound Name

ethyl 2-{4-[({2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl}carbamoyl)amino]phenyl}acetate

IUPAC name

ethyl 2-{4-[({2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl}carbamoyl)amino]phenyl}acetate

SMILES

CCOC(Cc(cc1)ccc1NC(NCCC(CC1)CCN1S(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C24H31N3O5S/c1-2-32-23(28)18-20-8-10-21(11-9-20)26-24(29)25-15-12-19-13-16-27(17-14-19)33(30,31)22-6-4-3-5-7-22/h3-11,19H,2,12-18H2,1H3,(H2,25,26,29)

InChI Key

NBZBXFGSMSBXKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27238467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.598

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.84

Polar Surface Area

85.575

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

L258-0227 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L258-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L258-0227?
Check Price and Availability of L258-0227, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L258-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L258-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L258-0227
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L258-0227 available by request